⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1480360 | 1.00 | — | — | |
| SCHEMBL1480361 | 1.00 | — | — | |
| SCHEMBL16930857 | 1.00 | — | — | |
| SCHEMBL16930858 | 1.00 | — | — | |
| SCHEMBL1480072 | 1.00 | — | — | |
| SCHEMBL6670981 | 0.90 | ALDH1A1 (0.34) | — | |
| SCHEMBL16968556 | 0.80 | THRB (0.46) | — | |
| SCHEMBL21570693 | 0.80 | THRB (0.46) | — | |
| SCHEMBL20859865 | 0.80 | THRB (0.46) | — | |
| SCHEMBL15054823 | 0.80 | THRB (0.46) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150209349-A1 | Piperazine Compounds | AMURA THERAPEUTICS LTD (GB) | 2015-07-30 | — | — | US | disclosed |
| US-9045492-B2 | Piperazine compounds | AMURA THERAPEUTICS LIMITED (GB) | 2015-06-02 | — | — | US | disclosed |
| US-20130252969-A1 | Compounds | AMURA THERAPEUTICS LIMITED (GB) | 2013-09-26 | — | — | US | disclosed |
| US-8501744-B2 | Piperazine compounds | AMURA THERAPEUTICS, LIMITED (GB) | 2013-08-06 | — | — | US | disclosed |
| US-20110077254-A1 | COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2011-03-31 | — | — | US | disclosed |